1,3-bis[(2R)-2-fluoro-2-(3-fluorophenyl)ethyl]-6-hydroxypyrimidine-2,4-dione

C20H16F4N2O3 — CID 123962154

IUPAC1,3-bis[(2R)-2-fluoro-2-(3-fluorophenyl)ethyl]-6-hydroxypyrimidine-2,4-dione
SMILESO=c1cc(O)n(C[C@H](F)c2cccc(F)c2)c(=O)n1C[C@H](F)c1cccc(F)c1
InChIInChI=1S/C20H16F4N2O3/c21-14-5-1-3-12(7-14)16(23)10-25-18(27)9-19(28)26(20(25)29)11-17(24)13-4-2-6-15(22)8-13/h1-9,16-17,27H,10-11H2/t16-,17-/m0/s1
InChIKeyKXUOGUWZHPYSBN-IRXDYDNUSA-N
MW408.35 g/mol
LogP3.42
Rot. Bonds6

About 1,3-bis[(2R)-2-fluoro-2-(3-fluorophenyl)ethyl]-6-hydroxypyrimidine-2,4-dione

1,3-bis[(2R)-2-fluoro-2-(3-fluorophenyl)ethyl]-6-hydroxypyrimidine-2,4-dione (PubChem CID 123962154) has the molecular formula C20H16F4N2O3 and a molecular weight of 408.35 g/mol. Its IUPAC name is 1,3-bis[(2R)-2-fluoro-2-(3-fluorophenyl)ethyl]-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-bis[(2R)-2-fluoro-2-(3-fluorophenyl)ethyl]-6-hydroxypyrimidine-2,4-dione
PubChem CID123962154
Molecular FormulaC20H16F4N2O3
Molecular Weight408.35 g/mol
Exact Mass408.11
IUPAC Name1,3-bis[(2R)-2-fluoro-2-(3-fluorophenyl)ethyl]-6-hydroxypyrimidine-2,4-dione
SMILESO=c1cc(O)n(C[C@H](F)c2cccc(F)c2)c(=O)n1C[C@H](F)c1cccc(F)c1
InChIInChI=1S/C20H16F4N2O3/c21-14-5-1-3-12(7-14)16(23)10-25-18(27)9-19(28)26(20(25)29)11-17(24)13-4-2-6-15(22)8-13/h1-9,16-17,27H,10-11H2/t16-,17-/m0/s1
InChIKeyKXUOGUWZHPYSBN-IRXDYDNUSA-N
XLogP3.42
TPSA64.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.35
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-bis[(2R)-2-fluoro-2-phenylethyl]-6-hydroxypyrimidine-2,4-dione
CID 123775542
1-[(2R)-2-(4-chlorophenyl)-2-fluoroethyl]-3-[(2S)-2-(4-chlorophenyl)-2-fluoroethyl]-6-hydroxypyrimidine-2,4-dione
CID 123725113
fluoro 2-fluoro-2-(3-fluorophenyl)acetate
CID 174649887
4-fluoro-4-(3-fluorophenyl)butan-1-amine
CID 83855480
3-amino-3-(3-fluorophenyl)propanoic acid
CID 580128
trichloro-[3-fluoro-3-(3-fluorophenyl)propyl]silane
CID 139911764
(3R)-3-(3-fluorophenyl)butanoic acid
CID 28791547
1-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]-3-hydroxy-2-methylpyridin-4-one
CID 170560129
3-[(3-fluorophenyl)-[4-hydroxy-1-(2-hydroxyethyl)-6-methyl-2-oxo-3-pyridinyl]methyl]-4-hydroxy-1-(2-hydroxyethyl)-6-methylpyridin-2-one
CID 54703565
N-[1-[2-fluoro-2-(3-fluorophenyl)ethyl]piperidin-4-yl]-N-phenylpropanamide
CID 153387671
6-(4-fluorophenyl)-2-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]pyridazin-3-one
CID 94813590
2,2-difluoro-1-(3-fluorophenyl)ethanamine
CID 79002278

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[(2R)-2-fluoro-2-(3-fluorophenyl)ethyl]-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 1,3-bis[(2R)-2-fluoro-2-(3-fluorophenyl)ethyl]-6-hydroxypyrimidine-2,4-dione (CID 123962154) is 1,3-bis[(2R)-2-fluoro-2-(3-fluorophenyl)ethyl]-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 1,3-bis[(2R)-2-fluoro-2-(3-fluorophenyl)ethyl]-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 1,3-bis[(2R)-2-fluoro-2-(3-fluorophenyl)ethyl]-6-hydroxypyrimidine-2,4-dione is O=c1cc(O)n(C[C@H](F)c2cccc(F)c2)c(=O)n1C[C@H](F)c1cccc(F)c1.
What is the InChIKey of 1,3-bis[(2R)-2-fluoro-2-(3-fluorophenyl)ethyl]-6-hydroxypyrimidine-2,4-dione?
The InChIKey is KXUOGUWZHPYSBN-IRXDYDNUSA-N. The full InChI is InChI=1S/C20H16F4N2O3/c21-14-5-1-3-12(7-14)16(23)10-25-18(27)9-19(28)26(20(25)29)11-17(24)13-4-2-6-15(22)8-13/h1-9,16-17,27H,10-11H2/t16-,17-/m0/s1.
What are the key properties of 1,3-bis[(2R)-2-fluoro-2-(3-fluorophenyl)ethyl]-6-hydroxypyrimidine-2,4-dione?
1,3-bis[(2R)-2-fluoro-2-(3-fluorophenyl)ethyl]-6-hydroxypyrimidine-2,4-dione has a molecular weight of 408.35 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[(2R)-2-fluoro-2-(3-fluorophenyl)ethyl]-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 123962154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).